1,3-Difluoro-5-methoxy-2-nitrobenzene

Base Information

• Chemical Name: 1,3-Difluoro-5-methoxy-2-nitrobenzene
• CAS No.: 66684-62-6
• Molecular Formula: C7H5 F2 N O3
• Molecular Weight: 189.118
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID50434114
• Wikidata: Q82248438
• Mol file: 66684-62-6.mol

Synonyms:1,3-Difluoro-5-methoxy-2-nitrobenzene;66684-62-6;3,5-Difluoro-4-nitroanisole;1,3-difluoro-5-methoxy-2-nitro-benzene;2,6-Difluoro-4-methoxy-1-nitrobenzene;Benzene,1,3-difluoro-5-methoxy-2-nitro-;4-Nitro-3,5-difluoroanisole;SCHEMBL971178;DTXSID50434114;YNHSGDUOWUPKKQ-UHFFFAOYSA-N;MFCD09029981;AKOS010190091;AB89880;AS-33036;CS-0061943;EN300-84396;Z645314146

Chemical Property of 1,3-Difluoro-5-methoxy-2-nitrobenzene

Chemical Property:

• Boiling Point: 255.5±35.0 °C(Predicted)
• PSA: 55.05000
• Density: 1.414±0.06 g/cm3(Predicted)
• LogP: 2.40480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 189.02374935
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

98.5% ^*data from raw suppliers

1,3-Difluoro-5-methoxy-2-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)F)[N+](=O)[O-])F

Technology Process of 1,3-Difluoro-5-methoxy-2-nitrobenzene

There total 5 articles about 1,3-Difluoro-5-methoxy-2-nitrobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

4-hydroxy-2,6-difluoronitrobenzene (147808-41-1) + methyl iodide (74-88-4) → 1,3-difluoro-5-methoxy-2-nitrobenzene (66684-62-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

1,3,5-trifluoro-2-nitrobenzene (315-14-0) + sodium methylate (124-41-4) → 1,3-difluoro-5-methoxy-2-nitrobenzene (66684-62-6) + 1,5-difluoro-3-methoxy-2-nitrobenzene (66684-61-5)

Guidance literature:

In methanol; for 2h;

DOI:10.1111/j.2042-7158.1993.tb07099.x

Reference yield:

1,3,5-trifluorobenzene (372-38-3) → 1,3-difluoro-5-methoxy-2-nitrobenzene (66684-62-6)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃, H₂SO₄

2: methanol

With sulfuric acid; nitric acid; In methanol;

DOI:10.1021/jm00035a017

upstream raw materials:

1,3,5-trifluoro-2-nitrobenzene

sodium methylate

1,3,5-trifluorobenzene

4-hydroxy-2,6-difluoronitrobenzene

Downstream raw materials:

1,1-dimethylethyl 4-[(2-nitro-3-fluoro-5-methoxyphenyl)amino]-piperidinecarboxylate

6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine

2-bromo-1-(3-fluoro-5-methoxy-2-nitrophenyl)-4-methyl-1H-imidazole

2,6-difluoro-4-methoxyacetanilide

Refernces

• 1、 Malamas, Michael S.,Ni, Yike,Erdei, James,Fan, Kristi Yi,Parris, Kevin,Marquis, Karen L.,Grauer, Steve,Brennan, Julie,Navarra, Rachel,Graf, Radka,Harrison, Boyd L.,Robichaud, Albert,Pangalos, Menelas N.,Brandon, Nicholas J.,Stange, Hans,Schindler, Rudolf,Lankau, Hans-Joachim,Grunwald, Christian,Langen, Barbara,Egerland, Ute,Hage, Thorsten,Kronbach, Thomas,Hoefgen, Norbert. "Novel triazines as potent and selective phosphodiesterase 10A inhibitors". . p. 5876 - 5884,9. Retrieved 2020/07/30.
• 2、 -. "IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES". Page/Page column 32. . Retrieved 2010/06/11.